SCHEMBL10469253

SCHEMBL10469253

COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.45
MMP2 P08253 5/20 0.45
ANPEP P15144 2/20 0.45
PIK3CD O00329 2/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10470158 0.84 ATM (0.47) MEN1KMT2AALDH1A1PIK3CDGAA
SCHEMBL2059306 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL27745576 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL6196385 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL10390327 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL13326445 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL6196388 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL8132886 0.81 KMT2A (0.60) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL7978138 0.81 KMT2A (0.45) MEN1KMT2AALDH1A1MMP2ANPEP
SCHEMBL8343803 0.77 KMT2A (0.53) MEN1KMT2AALDH1A1MMP2ANPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4912231-A Reacting a proline derivative with an aromatic nucleophile in presence of a Lewis acid catalyst E. R. SQUIBB & SONS, INC. (US) 1990-03-27 US disclosed